N-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide

C12H12ClNO2S2 — CID 35603755

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccc(Cl)s1
InChIInChI=1S/C12H12ClNO2S2/c13-12-7-6-11(17-12)8-14-18(15,16)9-10-4-2-1-3-5-10/h1-7,14H,8-9H2
InChIKeyBXGVJHPEPNGQQH-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.02
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide

N-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide (PubChem CID 35603755) has the molecular formula C12H12ClNO2S2 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide
PubChem CID35603755
Molecular FormulaC12H12ClNO2S2
Molecular Weight301.82 g/mol
Exact Mass301.00
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccc(Cl)s1
InChIInChI=1S/C12H12ClNO2S2/c13-12-7-6-11(17-12)8-14-18(15,16)9-10-4-2-1-3-5-10/h1-7,14H,8-9H2
InChIKeyBXGVJHPEPNGQQH-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide
CID 47071854
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide
CID 91631033
4-[(5-chlorothiophen-2-yl)methylamino]-5-phenylpentanoic acid
CID 120511860
1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 669282
2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid
CID 73356503
N-(bromomethyl)-1-phenylmethanesulfonamide
CID 174927038
2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 63260764
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-phenylmethanesulfonamide
CID 110446172
N-[(4-amino-2-chlorophenyl)methyl]-1-phenylmethanesulfonamide
CID 75458443
N-[(5-chlorothiophen-2-yl)methyl]morpholine-4-sulfonamide
CID 47165136
N-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine
CID 62567648
N-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide
CID 43743995

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide (CID 35603755) is N-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide?
The InChIKey is BXGVJHPEPNGQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S2/c13-12-7-6-11(17-12)8-14-18(15,16)9-10-4-2-1-3-5-10/h1-7,14H,8-9H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide?
N-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide has a molecular weight of 301.82 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 35603755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).